ISSN:
1432-2234
Keywords:
Finite-field many-body perturbation theory
;
Dipole-polarizability
;
Nuclear charge dependence
;
10-Electron atomic systems
;
F−
;
Ne
;
Na+
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The finite-field many-body perturbation theory limited to intermediate states involving single and double substitutions in the reference HF determinant is applied to the calculation of dipole polarizabilities of 10-electron atomic systems. The nuclear charge dependence of the convergence of the SD-MBPT series for correlation corrections to the dipole polarizability is investigated. It is concluded that the fourth-order SD-MBPT scheme is quite appropriate for neutral and positively charged species. For negatively charged systems the convergence of the SD-MBPT series becomes much poorer and including higher-order substitutions may be necessary. The role of the renormalization contributions to the SD-CI polarizability results is also considered. It follows that the corresponding data need to be corrected for the erratic treatment of unlinked clusters. The size inconsistency effects make quite important contributions to the SD-CI values of the correlation corrections to dipole polarizabilities.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00549039
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